mstk.chem.rdkit

Functions

create_mol_from_smiles(smiles)

Create a RDKit molecule object from SMILES string.

mstk.chem.rdkit.create_mol_from_smiles(smiles)

Create a RDKit molecule object from SMILES string.

Parameters:

smiles (str) –

Returns:

rdmol

Return type:

rdkit.rdchem.Mol